TL;DR: Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methyl- (CAS 131604-16-5) is a chemical compound with molecular formula C26H24BrN5O2 and molecular weight 517.1113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-bromo-3-[4-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylquinazolin-4-one
Also Known As: Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methyl-, 1-(4-((7-Bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methylpiperazine, 7-Bromo-3-[4-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylquinazolin-4(3H)-one, 7-bromo-3-[4-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylquinazolin-4-one
| Molecular Formula | C26H24BrN5O2 |
| Molecular Weight | 517.1113 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.1113 Da |
| Heavy Atoms | 34 |
| Complexity | 769.0 |
| SMILES | CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5 |
| InChIKey | GBDZVSGGWRLYMD-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methyl-. Following Lipinski's Rule of Five, Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methyl- is 131604-16-5.
The molecular formula of Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methyl- is C26H24BrN5O2.
The molecular weight of Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-methyl- is 517.1113 g/mol.
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